SCHEMBL30488772

SCHEMBL30488772

CS(=O)(=O)c1cc(F)cc(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.40
EPAS1 Q99814 1/20 0.39
PTGS1 P23219 7/20 0.38
KDM4E B2RXH2 1/20 0.38
MT-CO1 P00395 1/20 0.38
MT-CO2 P00403 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1848217 1.00 PTGS2 (0.40) PTGS2EPAS1PTGS1KDM4EMT-CO1
SCHEMBL21469773 0.84 ENPP2 (0.39) PTGS2
SCHEMBL30633576 0.84 ENPP2 (0.39) PTGS2
SCHEMBL776672 0.84 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL17331447 0.78 CA2 (0.52) PTGS2PTGS1CYP2C19
SCHEMBL31367742 0.78 ALDH1A1 (0.34) HSD17B10
SCHEMBL17331594 0.78 ALDH1A1 (0.34) HSD17B10
SCHEMBL30633558 0.78 GBA1 (0.43) KDM4E
SCHEMBL15352992 0.78 FFAR4 (0.32) EPAS1
SCHEMBL1510778 0.78 GAA (0.39) PTGS2EPAS1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250099448-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2025-03-27 US disclosed
CN-119101069-A Spiro compounds and uses thereof 轩竹生物科技股份有限公司 2024-12-10 CN disclosed
US-20240383904-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2024-11-21 US disclosed
US-20240199587-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2024-06-20 US disclosed
CN-117916239-A 3-Substituted 1H-pyrrolo [2,3-b ] pyridines as GRK5 modulators 利德探索中心股份有限公司 2024-04-19 CN disclosed
CN-117157072-A Novel cyclopento [ c ] pyrrole NR2B negative allosteric modulators 诺华股份有限公司 2023-12-01 CN disclosed
CN-117043162-A TYK2 selective inhibitors and uses thereof 迈巴制药(南京)有限公司 2023-11-10 CN disclosed
EP-4208456-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2023-07-12 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240199587-A1 HETEROCYCLIC COMPOUNDS CYP1B1, CYP1A1, CYP4B1 PTGS2 3634/4885EPAS1 3750/4885PTGS1 2744/4885
US-20240383904-A1 HETEROCYCLIC COMPOUNDS MAGI3, MAG, MAGT1 PTGS2 2455/4885EPAS1 3766/4885PTGS1 1684/4885
US-20250099448-A1 HETEROCYCLIC COMPOUNDS OPRM1, CYP1A1, CYP3A4 PTGS2 2320/4885EPAS1 3804/4885PTGS1 1561/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.